3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one

C15H28N2O2 — CID 71785879

IUPAC3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one
SMILESCN(C)CC1COCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-16(2)11-14-12-19-10-9-17(14)15(18)8-7-13-5-3-4-6-13/h13-14H,3-12H2,1-2H3
InChIKeyACRSWSCERFFZJJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds5

About 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one

3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one (PubChem CID 71785879) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one
PubChem CID71785879
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one
SMILESCN(C)CC1COCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-16(2)11-14-12-19-10-9-17(14)15(18)8-7-13-5-3-4-6-13/h13-14H,3-12H2,1-2H3
InChIKeyACRSWSCERFFZJJ-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one (CID 71785879) is 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one is CN(C)CC1COCCN1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one?
The InChIKey is ACRSWSCERFFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16(2)11-14-12-19-10-9-17(14)15(18)8-7-13-5-3-4-6-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one?
3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-[(dimethylamino)methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 71785879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).